REMARK Name = BDB064271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.396 -2.588 -3.415 0.00 0.00 +0.221 A ATOM 2 N LIG 1 1.262 -2.043 -2.543 0.00 0.00 -0.211 NA ATOM 3 C LIG 1 2.506 -2.584 -2.441 0.00 0.00 +0.111 A ATOM 4 C LIG 1 2.875 -3.680 -3.196 0.00 0.00 +0.167 A ATOM 5 F LIG 1 4.076 -4.267 -3.104 0.00 0.00 -0.202 F ATOM 6 C LIG 1 1.928 -4.176 -4.053 0.00 0.00 +0.155 A ATOM 7 N LIG 1 0.692 -3.654 -4.178 0.00 0.00 -0.220 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 3.404 -1.929 -1.462 0.00 0.00 +0.005 A ATOM 9 C LIG 1 4.799 -1.862 -1.664 0.00 0.00 +0.027 A ATOM 10 C LIG 1 5.617 -1.267 -0.684 0.00 0.00 +0.041 A ATOM 11 C LIG 1 5.095 -0.712 0.481 0.00 0.00 +0.080 A ATOM 12 N LIG 1 6.026 -0.180 1.354 0.00 0.00 -0.225 NA ATOM 13 C LIG 1 7.236 -0.321 0.872 0.00 0.00 +0.159 A ATOM 14 C LIG 1 3.703 -0.745 0.672 0.00 0.00 +0.029 A ATOM 15 S LIG 1 7.327 -1.098 -0.660 0.00 0.00 -0.052 S ATOM 16 C LIG 1 2.881 -1.353 -0.290 0.00 0.00 +0.012 A BRANCH 13 17 ATOM 17 N LIG 1 8.368 0.084 1.485 0.00 0.00 -0.321 N ATOM 18 H LIG 1 9.264 -0.189 1.096 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 8.335 0.572 2.855 0.00 0.00 +0.072 C ATOM 20 C LIG 1 9.738 0.530 3.470 0.00 0.00 +0.022 C ATOM 21 C LIG 1 10.435 1.796 2.970 0.00 0.00 +0.002 C ATOM 22 C LIG 1 9.323 2.764 2.553 0.00 0.00 +0.002 C ATOM 23 C LIG 1 8.006 2.064 2.895 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 24 ATOM 24 N LIG 1 -0.884 -2.096 -3.579 0.00 0.00 -0.268 N ATOM 25 H LIG 1 -1.423 -2.654 -4.223 0.00 0.00 +0.156 HD BRANCH 24 29 ATOM 26 C LIG 1 -3.241 0.974 -2.105 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -3.671 0.027 -3.017 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -2.892 -0.982 -3.476 0.00 0.00 -0.239 NA ATOM 29 C LIG 1 -1.607 -1.047 -3.047 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -1.099 -0.104 -2.156 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -1.920 0.926 -1.683 0.00 0.00 +0.018 A BRANCH 26 33 ATOM 32 O LIG 1 -3.850 3.205 -1.957 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 -4.152 2.049 -1.681 0.00 0.00 +0.248 C ATOM 34 N LIG 1 -5.330 1.695 -1.040 0.00 0.00 -0.294 N ATOM 35 C LIG 1 -5.601 0.382 -0.431 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -6.644 0.448 0.703 0.00 0.00 +0.127 C ATOM 37 N LIG 1 -7.878 1.118 0.283 0.00 0.00 -0.298 N ATOM 38 C LIG 1 -9.115 0.957 0.897 0.00 0.00 +0.219 C ATOM 39 O LIG 1 -10.151 1.439 0.454 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 -7.778 2.058 -0.840 0.00 0.00 +0.127 C ATOM 41 C LIG 1 -6.392 2.701 -0.932 0.00 0.00 +0.127 C BRANCH 38 42 ATOM 42 C LIG 1 -9.147 0.265 2.214 0.00 0.00 +0.075 C ATOM 43 C LIG 1 -9.020 -1.231 2.374 0.00 0.00 +0.013 C ATOM 44 C LIG 1 -10.355 -0.575 2.588 0.00 0.00 +0.013 C ENDBRANCH 38 42 ENDBRANCH 26 33 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 7